Geometry & MOs

Info

ID:	142417
PubChem CID:	53031623
Reduced:	SN3O3H27C28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	5.56
IP(EA), eV:	-8.42(-0.71)
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-ethoxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)N5CCCC5C3=O

DOS

IR

Vibrations