Geometry & MOs

Info

ID:	302257
PubChem CID:	124360911
Reduced:	SN4O6C20H26 (1)
Stoich.:	AB4C6D20E26 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-256.95
Dipole, Da:	13.8
IP(EA), eV:	-8.9(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[3-(2-methylbenzimidazol-1-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)[C@@H](CCSC)NC(=O)CN1C(=O)C2=CC=CC=C2NC1=O

DOS

IR

Vibrations