Geometry & MOs

Info

ID:	139648
PubChem CID:	52574726
Reduced:	ClOSN3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	361.101561
ΔH_f, kcal/mol:	24.22
Dipole, Da:	2.38
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N,3-dimethylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(C)C(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3Cl

DOS

IR

Vibrations