Geometry & MOs

Info

ID:	414760
PubChem CID:	135087722
Reduced:	FN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	794.386394
ΔH_f, kcal/mol:	-225.25
Dipole, Da:	6.73
IP(EA), eV:	-9.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,6S,9R,12S,19S,21R)-21-hydroxy-6-(1H-indol-3-ylmethyl)-9-methyl-3-(2-methylpropyl)-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC(=C(C=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC(=C(C=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):