Geometry & MOs

Info

ID:	58427
PubChem CID:	24701254
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-26.01
Dipole, Da:	7.48
IP(EA), eV:	-8.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(ethoxycarbonylamino)heptanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=CC=C2C(=S)N)OC

DOS

IR

Vibrations