Geometry & MOs

Info

ID:	33510
PubChem CID:	7886782
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-159.15
Dipole, Da:	3.52
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1[C@@H](C)O)C)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

DOS

IR

Vibrations