Geometry & MOs

Info

ID:	219348
PubChem CID:	85146933
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	377.256609
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	4.43
IP(EA), eV:	-8.99(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(phenylmethoxycarbonylamino)tetradecanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(CNC(C)(C)COC2C=CC(=S)N=N2)O)C

DOS

IR

Vibrations