Geometry & MOs

Info

ID:	204716
PubChem CID:	79999818
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-99.95
Dipole, Da:	7.75
IP(EA), eV:	-8.65(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N(C)CCCN(C)C)/C=C/C(=O)O

DOS

IR

Vibrations