Geometry & MOs

Info

ID:	62031
PubChem CID:	26717125
Reduced:	Cl2N4O4H16C19 (1)
Stoich.:	A2B4C4D16E19 (1)
Weight, g/mol:	435.111647
ΔH_f, kcal/mol:	-114.1
Dipole, Da:	2.05
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)CNC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations