Geometry & MOs

Info

ID:	140956
PubChem CID:	52789653
Reduced:	ClS2N3O4C19H26 (1)
Stoich.:	AB2C3D4E19F26 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-143.25
Dipole, Da:	9.64
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-[2-[benzyl(methyl)amino]anilino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NS(=O)(=O)C2=C(C=CC(=C2)Cl)C

DOS

IR

Vibrations