Geometry & MOs

Info

ID:	238218
PubChem CID:	92729804
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-98.08
Dipole, Da:	4.48
IP(EA), eV:	-8.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6aR)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methyl]-N-(2-propoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)N5CCC[C@H]5C3=O

DOS

IR

Vibrations