Geometry & MOs

Info

ID:	60440
PubChem CID:	26686069
Reduced:	N3O3C24H32 (1)
Stoich.:	A3B3C24D32 (1)
Weight, g/mol:	494.112327
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	2.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.825700
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)C[NH+](C)CC3=CC=CC=C3N4CCCCC4

DOS

IR

Vibrations