Geometry & MOs

Info

ID:	70927
PubChem CID:	48414058
Reduced:	ClO4N5C17H20 (1)
Stoich.:	AB4C5D17E20 (1)
Weight, g/mol:	380.151826
ΔH_f, kcal/mol:	-59.1
Dipole, Da:	4.52
IP(EA), eV:	-9.48(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations