Geometry & MOs

Info

ID:	440863
PubChem CID:	135231883
Reduced:	SN2O5C25H48 (1)
Stoich.:	AB2C5D25E48 (1)
Weight, g/mol:	447.219178
ΔH_f, kcal/mol:	-299.42
Dipole, Da:	4.73
IP(EA), eV:	-8.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(=O)OC)C(=O)NC(CSCCC(C)CCCC(C)CCCC(C)C)C(=O)OC

DOS

IR

Vibrations