Geometry & MOs

Info

ID:	69104
PubChem CID:	46518595
Reduced:	OS2N7H17C19 (1)
Stoich.:	AB2C7D17E19 (1)
Weight, g/mol:	439.086974
ΔH_f, kcal/mol:	134.44
Dipole, Da:	5.87
IP(EA), eV:	-8.91(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-methyl-N-[4-(methylcarbamoylamino)phenyl]thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NN=NN3C4=CC=C(C=C4)C

DOS

IR

Vibrations