Geometry & MOs

Info

ID:	432084
PubChem CID:	135172216
Reduced:	NOSC14H27 (1)
Stoich.:	ABCD14E27 (1)
Weight, g/mol:	497.325357
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	3.36
IP(EA), eV:	-8.75(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[5-(methoxymethyl)pyridin-2-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCCCSCN(CCC(=C)CC(C)C)C=O

DOS

IR

Vibrations