Geometry & MOs

Info

ID:	158254
PubChem CID:	56463236
Reduced:	ClOSN3C18H22 (1)
Stoich.:	ABCD3E18F22 (1)
Weight, g/mol:	457.214761
ΔH_f, kcal/mol:	11.43
Dipole, Da:	5.62
IP(EA), eV:	-9.12(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations