Geometry & MOs

Info

ID:	44609
PubChem CID:	10504358
Reduced:	SCl2O4C22H34 (1)
Stoich.:	AB2C4D22E34 (1)
Weight, g/mol:	465.120586
ΔH_f, kcal/mol:	-218.51
Dipole, Da:	4.31
IP(EA), eV:	-10.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCCCCCCCCCCS(=O)(=O)C1=CC=CC=C1)(Cl)Cl

DOS

IR

Vibrations