Geometry & MOs

Info

ID:	440883
PubChem CID:	135232009
Reduced:	N4O4H22C25 (1)
Stoich.:	A4B4C22D25 (1)
Weight, g/mol:	482.245058
ΔH_f, kcal/mol:	-23.72
Dipole, Da:	5.47
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-4-[[1-carboxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C2=NOC(=N2)C3CC4=C(C=CC(=C4)OC5=C6CCC(=O)NC6=NC=C5)OC3

DOS

IR

Vibrations