Geometry & MOs

Info

ID:	440869
PubChem CID:	135231932
Reduced:	NSO6C22H35 (1)
Stoich.:	ABC6D22E35 (1)
Weight, g/mol:	538.355277
ΔH_f, kcal/mol:	-271.51
Dipole, Da:	8.16
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2-amino-2-oxoethyl)-(cyanomethyl)carbamoyl]amino]-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)NC(=O)COCC(=O)O)/C)/C)C

DOS

IR

Vibrations