Geometry & MOs

Info

ID:	142413
PubChem CID:	53031518
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-84.63
Dipole, Da:	3.13
IP(EA), eV:	-9.4(-0.63)
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-[(2-ethoxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)N5CCCC5C3=O

DOS

IR

Vibrations