Geometry & MOs

Info

ID:	190019
PubChem CID:	77942548
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	709.25885
ΔH_f, kcal/mol:	-165.93
Dipole, Da:	3.56
IP(EA), eV:	-9.58(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-[2-[[3-(4-chlorophenyl)-2-[2-(methanesulfonamido)cyclohexyl]-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1COC2C1OCC2NC(=O)C(C)C(C)C

DOS

IR

Vibrations