Geometry & MOs

Info

ID:	31930
PubChem CID:	3723615
Reduced:	FSN2O3H17C25 (1)
Stoich.:	ABC2D3E17F25 (1)
Weight, g/mol:	412.215078
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	8.59
IP(EA), eV:	-8.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxynaphthalen-1-yl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)F)O

DOS

IR

Vibrations