Geometry & MOs

Info

ID:	131512
PubChem CID:	51217277
Reduced:	OSN5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	326.13972
ΔH_f, kcal/mol:	60.73
Dipole, Da:	5.32
IP(EA), eV:	-9.2(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(5-chloro-2-methylanilino)-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)C1=CC=CC=C1SCC2=NN=NN2C3=CC=CC=C3

DOS

IR

Vibrations