Geometry & MOs

Info

ID:	185093
PubChem CID:	77254197
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	580.0515
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	6.0
IP(EA), eV:	-9.04(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC1CN(CCN1C(=O)O)C(C2=CC=CC=C2)C(C)(C)C)O

DOS

IR

Vibrations