Geometry & MOs

Info

ID:	188522
PubChem CID:	77727117
Reduced:	SO2N3C30H43 (1)
Stoich.:	AB2C3D30E43 (1)
Weight, g/mol:	459.109817
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	1.76
IP(EA), eV:	-8.95(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-3-(3-ethoxyphenyl)-7-nitro-5,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)N(C2(CCN(CC2)CCCCCCC3=CC=CC=C3)C(=O)N1)CCC4=CC=CS4

DOS

IR

Vibrations