Geometry & MOs

Info

ID:	369159
PubChem CID:	127331447
Reduced:	SN4O4C16H18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	2.56
IP(EA), eV:	-9.55(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopentanecarbonylamino)-N-(2-methylpyrimidin-4-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations