Geometry & MOs

Info

ID:	140982
PubChem CID:	52794971
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	436.178041
ΔH_f, kcal/mol:	-109.89
Dipole, Da:	7.02
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@H](C)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations