Geometry & MOs

Info

ID:	190362
PubChem CID:	77992237
Reduced:	N4O4C39H44 (1)
Stoich.:	A4B4C39D44 (1)
Weight, g/mol:	646.351906
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	4.41
IP(EA), eV:	-9.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[8-[(2-benzamido-3-phenylpropanoyl)amino]octylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCCCCCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations