Geometry & MOs

Info

ID:	142886
PubChem CID:	53108753
Reduced:	ON6C23H32 (1)
Stoich.:	AB6C23D32 (1)
Weight, g/mol:	453.187484
ΔH_f, kcal/mol:	12.41
Dipole, Da:	6.22
IP(EA), eV:	-8.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-2-[(7,8-dimethyl-2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCNC(=O)C2=CC=CC(=C2)C3=CN=C(N=C3)N4CCCC4

DOS

IR

Vibrations