Geometry & MOs

Info

ID:	47100
PubChem CID:	10529565
Reduced:	Cl2N3O3H21C27 (1)
Stoich.:	A2B3C3D21E27 (1)
Weight, g/mol:	506.172287
ΔH_f, kcal/mol:	53.06
Dipole, Da:	5.96
IP(EA), eV:	-8.73(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-2-phenylmethoxyethyl)sulfamoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC\1=C(C2=C(/C1=C\C3=C(C(=CC=C3)Cl)Cl)C=CC=C2OC)CC(=O)ON4C5=CC=CC=C5N=N4

DOS

IR

Vibrations