Geometry & MOs

Info

ID:	429156
PubChem CID:	135168947
Reduced:	O3N5F6H19C21 (1)
Stoich.:	A3B5C6D19E21 (1)
Weight, g/mol:	487.233188
ΔH_f, kcal/mol:	-368.2
Dipole, Da:	10.03
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-2-N-methyl-4-oxo-2-N-pyridin-4-yl-1-N-[(1R)-1-pyridin-3-ylbutyl]azetidine-1,2-dicarboxamide

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

CN(C1=CC=CC=C1)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)NC(C(F)(F)F)C(F)(F)F)CC3=CC(=NC=C3)N

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

CN(C1=CC=CC=C1)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)NC(C(F)(F)F)C(F)(F)F)CC3=CC(=NC=C3)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):