Geometry & MOs

Info

ID:	206331
PubChem CID:	80232379
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	-102.53
Dipole, Da:	9.04
IP(EA), eV:	-8.72(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(4-methylthiophen-3-yl)methylcarbamoyl]pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)CNC2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations