Geometry & MOs

Info

ID:	64138
PubChem CID:	29196324
Reduced:	SN3O4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	400.041519
ΔH_f, kcal/mol:	-59.2
Dipole, Da:	2.0
IP(EA), eV:	-8.29(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C[C@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)C5CC5)OC

DOS

IR

Vibrations