Geometry & MOs

Info

ID:	233904
PubChem CID:	92192334
Reduced:	SCl2N2O3C21H26 (1)
Stoich.:	AB2C2D3E21F26 (1)
Weight, g/mol:	330.088557
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	9.14
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-3-methyl-2-[(4-nitrophenyl)sulfonylamino]butanoate

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)CCN(CC1=C(C=CC=C1Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations