Geometry & MOs

Info

ID:	313515
PubChem CID:	126615263
Reduced:	OC15H29 (2)
Stoich.:	AB15C29 (2)
Weight, g/mol:	524.179264
ΔH_f, kcal/mol:	-175.37
Dipole, Da:	2.6
IP(EA), eV:	-9.35(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-[[3,5-difluoro-4-(trimethyl-lambda4-sulfanyl)phenyl]carbamoyl]-6-ethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC(C)OCCCOCCCCCCCC/C=C\C/C=C\CCCCC

DOS

IR

Vibrations