Geometry & MOs

Info

ID:	440870
PubChem CID:	135231934
Reduced:	SN4O4C28H50 (1)
Stoich.:	AB4C4D28E50 (1)
Weight, g/mol:	498.239973
ΔH_f, kcal/mol:	-224.13
Dipole, Da:	6.22
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[carboxymethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSC[C@@H](C(=O)O)NC(=O)N(CC#N)CC(=O)N)/C

DOS

IR

Vibrations