Geometry & MOs

Info

ID:	135971
PubChem CID:	51961006
Reduced:	O3S3N5C20H34 (1)
Stoich.:	A3B3C5D20E34 (1)
Weight, g/mol:	466.167477
ΔH_f, kcal/mol:	-116.08
Dipole, Da:	12.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756949
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N[C@H]2CCC[NH+](C2)CN3C(=S)SC(=N3)SC

DOS

IR

Vibrations