Geometry & MOs

Info

ID:	158385
PubChem CID:	56463548
Reduced:	S2N4O5C19H24 (1)
Stoich.:	A2B4C5D19E24 (1)
Weight, g/mol:	371.203134
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	7.85
IP(EA), eV:	-9.48(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-methylpropyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations