Geometry & MOs

Info

ID:	188069
PubChem CID:	77663738
Reduced:	ClFSN4O6C23H24 (1)
Stoich.:	ABCD4E6F23G24 (1)
Weight, g/mol:	647.347155
ΔH_f, kcal/mol:	-242.13
Dipole, Da:	3.93
IP(EA), eV:	-8.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[1-[5-(naphthalen-2-ylmethyl)-3,6-dioxopiperazin-2-yl]-2-(4-phenoxyphenyl)ethyl]-N-(1-piperidin-4-ylethyl)propanamide

Drug info:

PubChemData

Smile

C1CC(C1)OC(=O)NC(CNC(=O)C2=CC=C(S2)Cl)C(=O)NC3=C(C=C(C=C3)N4CCOCC4=O)F

DOS

IR

Vibrations