Geometry & MOs

Info

ID:	77275
PubChem CID:	48426006
Reduced:	ClSN3O4C17H26 (1)
Stoich.:	ABC3D4E17F26 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-176.12
Dipole, Da:	3.91
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[[2-(diethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC(=CC=C1)Cl

DOS

IR

Vibrations