Geometry & MOs

Info

ID:	290266
PubChem CID:	104425065
Reduced:	BrOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	-32.61
Dipole, Da:	4.71
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[(6-nitro-1H-benzimidazol-2-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC1=C(C=C(C=C1)C(=S)N)Br

DOS

IR

Vibrations