Geometry & MOs

Info

ID:	440839
PubChem CID:	135231781
Reduced:	N4O5C26H46 (1)
Stoich.:	A4B5C26D46 (1)
Weight, g/mol:	556.354609
ΔH_f, kcal/mol:	-268.57
Dipole, Da:	5.29
IP(EA), eV:	-9.24(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-4-[[1-carboxy-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCC1=COC(=N1)CN)CCCN(C2CCCCC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations