Geometry & MOs

Info

ID:	70907
PubChem CID:	48414028
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	380.107375
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	6.03
IP(EA), eV:	-9.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=C(NN=C2)C)C

DOS

IR

Vibrations