Geometry & MOs

Info

ID:	348803
PubChem CID:	127274451
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	6.59
IP(EA), eV:	-8.49(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-methyl-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations