Geometry & MOs

Info

ID:	175175
PubChem CID:	75864336
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	450.203383
ΔH_f, kcal/mol:	-83.95
Dipole, Da:	4.23
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-methyl-1-oxo-1-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(=O)N1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations