Geometry & MOs

Info

ID:	36422
PubChem CID:	8006327
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-35.55
Dipole, Da:	9.88
IP(EA), eV:	-9.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CN2

DOS

IR

Vibrations