Geometry & MOs

Info

ID:	184515
PubChem CID:	77171929
Reduced:	SN2O6C24H26 (1)
Stoich.:	AB2C6D24E26 (1)
Weight, g/mol:	372.06847
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	3.39
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(4-bromo-3-methylanilino)-3-hydroxy-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=C(N2C3CCC(C3)O)C(=O)OC)C(C4=CC=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations