Geometry & MOs

Info

ID:	142416
PubChem CID:	53031622
Reduced:	O3N4C29H36 (1)
Stoich.:	A3B4C29D36 (1)
Weight, g/mol:	485.177313
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	3.99
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCNC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N4CCCC4C2=O)C5CCCCC5

DOS

IR

Vibrations