Geometry & MOs

Info

ID:	237546
PubChem CID:	92719582
Reduced:	ClS2N3O3H20C23 (1)
Stoich.:	AB2C3D3E20F23 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	6.34
IP(EA), eV:	-8.64(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(furan-2-yl)-9,9-dimethyl-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)CN2C3=C(SC(=S)N3C4=CC=CC=C4C2=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations