Geometry & MOs

Info

ID:	240781
PubChem CID:	93617530
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	342.136176
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	3.59
IP(EA), eV:	-8.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(carbamoylamino)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N[C@H](C)C2=CC(=C(C=C2)OC(C)C)OC

DOS

IR

Vibrations