Geometry & MOs

Info

ID:	245186
PubChem CID:	99437819
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-113.59
Dipole, Da:	7.35
IP(EA), eV:	-9.0(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)NC2=CC=NN2C[C@@H]3CCOC3

DOS

IR

Vibrations