Geometry & MOs

Info

ID:	36935
PubChem CID:	8015059
Reduced:	SN2O5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	351.042899
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	5.98
IP(EA), eV:	-9.53(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=C2

DOS

IR

Vibrations