Geometry & MOs

Info

ID:	70933
PubChem CID:	48414064
Reduced:	S2O3N5H15C16 (1)
Stoich.:	A2B3C5D15E16 (1)
Weight, g/mol:	379.131425
ΔH_f, kcal/mol:	50.38
Dipole, Da:	9.16
IP(EA), eV:	-8.86(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=C(NN=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations