Geometry & MOs

Info

ID:	27109
PubChem CID:	814328
Reduced:	ClSO2N3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-90.03
Dipole, Da:	4.78
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=NC(=C(S1)C)C)C(=O)[C@H](C)Cl

DOS

IR

Vibrations