Geometry & MOs

Info

ID:	134260
PubChem CID:	51670488
Reduced:	NSO5C23H31 (1)
Stoich.:	ABC5D23E31 (1)
Weight, g/mol:	402.968414
ΔH_f, kcal/mol:	-229.74
Dipole, Da:	5.01
IP(EA), eV:	-8.29(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

4-chloro-3-(5-chloro-2,4-dimethoxyphenyl)azanidylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)O

DOS

IR

Vibrations