Geometry & MOs

Info

ID:	46641
PubChem CID:	10525857
Reduced:	O5N6C18H34 (1)
Stoich.:	A5B6C18D34 (1)
Weight, g/mol:	414.171224
ΔH_f, kcal/mol:	-139.98
Dipole, Da:	3.92
IP(EA), eV:	-9.48(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-5-(2-methoxyethoxymethoxy)-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-3-oxopentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCNCCCNCC(CN1C=CN=C1[N+](=O)[O-])O

DOS

IR

Vibrations