Geometry & MOs

Info

ID:	180528
PubChem CID:	76649072
Reduced:	INO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	5.35
IP(EA), eV:	-9.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pent-4-enoylamino)-4-thiophen-3-ylbutanoic acid

Drug info:

PubChemData

Smile

C=CCCC(=O)NC(CC1=CC=C(C=C1)I)CC(=O)O

DOS

IR

Vibrations