Geometry & MOs

Info

ID:	161115
PubChem CID:	57390817
Reduced:	NO4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	618.224513
ΔH_f, kcal/mol:	-86.15
Dipole, Da:	9.82
IP(EA), eV:	-9.44(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2R)-2-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl-cyclopropylcarbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=CO3)C(=O)O1

DOS

IR

Vibrations