Geometry & MOs

Info

ID:	396778
PubChem CID:	135029192
Reduced:	SN3O4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	359.246044
ΔH_f, kcal/mol:	-108.47
Dipole, Da:	3.38
IP(EA), eV:	-7.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R)-1-[(2R)-1-hydroxyundec-10-en-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1C=CN=C1C(=O)[C@@H](C2=CC=CS2)[C@@H](C(=O)OC(C)(C)C)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations