Geometry & MOs

Info

ID:	27043
PubChem CID:	813342
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-38.75
Dipole, Da:	4.43
IP(EA), eV:	-9.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CN(C(C)C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations