Geometry & MOs

Info

ID:	142412
PubChem CID:	53030585
Reduced:	FN4O5C26H27 (1)
Stoich.:	AB4C5D26E27 (1)
Weight, g/mol:	457.236542
ΔH_f, kcal/mol:	-145.65
Dipole, Da:	5.7
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=CC(=N2)C3=CC(=C(C(=C3)OC)OC)OC)N1C)CCC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations