Geometry & MOs

Info

ID:	156115
PubChem CID:	56369189
Reduced:	O3N5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	472.160283
ΔH_f, kcal/mol:	-131.35
Dipole, Da:	7.46
IP(EA), eV:	-9.28(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propan-2-yl)amino]methyl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NC3CCN(CC3)CC(=O)NC

DOS

IR

Vibrations