Geometry & MOs

Info

ID:	426974
PubChem CID:	135154828
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	418.08921
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	6.71
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl N-(2-aminobenzoyl)-N-(3-bromo-4-ethylphenyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(CNS2(O)O)N=C1N3CCC(CC3)OC4=CC=CC(=C4)C#N

DOS

IR

Vibrations