Geometry & MOs

Info

ID:	204713
PubChem CID:	79999364
Reduced:	ON2C18H32 (1)
Stoich.:	AB2C18D32 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	-113.38
Dipole, Da:	2.5
IP(EA), eV:	-9.51(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-methyl-5-[(3-methylpyridin-4-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NC12CC3CC(C1)(CC(C3)(C2)C)C)N

DOS

IR

Vibrations