Geometry & MOs

Info

ID:	244201
PubChem CID:	99319351
Reduced:	F2N3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	415.10921
ΔH_f, kcal/mol:	-214.11
Dipole, Da:	5.28
IP(EA), eV:	-8.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-4-imidazol-1-yl-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations