Geometry & MOs

Info

ID:	240167
PubChem CID:	93576450
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	484.111
ΔH_f, kcal/mol:	-111.25
Dipole, Da:	3.22
IP(EA), eV:	-8.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[1-[2-(3-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2CCCNC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations