Geometry & MOs

Info

ID:	147338
PubChem CID:	53786994
Reduced:	ClSN2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	845.240701
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	6.66
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-benzhydryloxy-1-(3,4-diacetyloxyphenyl)-2-oxoethoxy]imino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(=CC1=CC=CC=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations