Geometry & MOs

Info

ID:	37951
PubChem CID:	8025833
Reduced:	O2N3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762930
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H]1CCCC2=CC=CC=C12)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

DOS

IR

Vibrations