Geometry & MOs

Info

ID:	318329
PubChem CID:	126650526
Reduced:	SN3O8C27H33 (1)
Stoich.:	AB3C8D27E33 (1)
Weight, g/mol:	588.167472
ΔH_f, kcal/mol:	-324.86
Dipole, Da:	8.28
IP(EA), eV:	-9.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxopyridin-1-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]benzoate

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

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)COC2=CC3=C(CN(C3=O)C(=O)O)C=C2)C4=CC=C(C=C4)NS(=O)(=O)C

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

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)COC2=CC3=C(CN(C3=O)C(=O)O)C=C2)C4=CC=C(C=C4)NS(=O)(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):