Geometry & MOs

Info

ID:	339946
PubChem CID:	127261955
Reduced:	N2O2C9H13 (2)
Stoich.:	A2B2C9D13 (2)
Weight, g/mol:	343.124215
ΔH_f, kcal/mol:	-153.57
Dipole, Da:	3.8
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(E)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C1[C@H](NCC2=CC=CC=C21)C(=O)N([C@@H](CCCCN)C(=O)O)C(=O)CN

DOS

IR

Vibrations