Geometry & MOs

Info

ID:	161076
PubChem CID:	57390684
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	604.208863
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	2.01
IP(EA), eV:	-8.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)COC2=C1C=CC(=C2)CNC3=CC=C(C=C3)C

DOS

IR

Vibrations