Geometry & MOs

Info

ID:	130591
PubChem CID:	51091406
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-12.33
Dipole, Da:	7.38
IP(EA), eV:	-9.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)NC(C)C2=CC=CC=N2)[N+](=O)[O-]

DOS

IR

Vibrations