Geometry & MOs

Info

ID:	133889
PubChem CID:	51609257
Reduced:	S2N3O3C19H26 (1)
Stoich.:	A2B3C3D19E26 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	6.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761696
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3S)-3-(3,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C[NH+](C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations