Geometry & MOs

Info

ID:	71030
PubChem CID:	48414199
Reduced:	SO2N5C11H15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	2.37
Dipole, Da:	3.95
IP(EA), eV:	-9.27(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CSCC2=NOC(=N2)C

DOS

IR

Vibrations