Geometry & MOs

Info

ID:	69317
PubChem CID:	46530662
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	9.98
IP(EA), eV:	-8.19(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NC2=CC=C(C=C2)NC(=O)NCC3CCCO3)N4C=CC=C4)C

DOS

IR

Vibrations