Geometry & MOs

Info

ID:	131718
PubChem CID:	51251413
Reduced:	SN3O4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	7.34
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations