Geometry & MOs

Info

ID:	159214
PubChem CID:	57264414
Reduced:	SN2O5C19H34 (1)
Stoich.:	AB2C5D19E34 (1)
Weight, g/mol:	393.233765
ΔH_f, kcal/mol:	-272.16
Dipole, Da:	3.56
IP(EA), eV:	-10.04(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)carbamothioyl]tetradecanoic acid

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC(C)CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O

DOS

IR

Vibrations