Geometry & MOs

Info

ID:	79574
PubChem CID:	49829558
Reduced:	SO4N5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	445.272927
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	3.92
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(dimethylamino)phenyl]-9,9-dimethyl-5-(3-methylbutanoyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CS[C@]4(N3C(=O)CC4)C

DOS

IR

Vibrations