Geometry & MOs

Info

ID:	328769
PubChem CID:	126727595
Reduced:	S2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	5.23
IP(EA), eV:	-9.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(carbamoylamino)methyl]-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)CSCC1=CC=C(C=C1)SCC(=O)O

DOS

IR

Vibrations