Geometry & MOs

Info

ID:	402313
PubChem CID:	135055437
Reduced:	NSO6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	428.03717
ΔH_f, kcal/mol:	-212.32
Dipole, Da:	7.6
IP(EA), eV:	-9.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NZ)-N-[(4-bromophenyl)-(1,3-dioxoisoindol-2-yl)methylidene]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](COC2=O)[C@@H](C3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations