Geometry & MOs

Info

ID:	39171
PubChem CID:	8139861
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	416.167083
ΔH_f, kcal/mol:	-97.3
Dipole, Da:	3.64
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=CC=C3CN(C)C

DOS

IR

Vibrations