Geometry & MOs

Info

ID:	66414
PubChem CID:	46504533
Reduced:	S2N5O7C25H29 (1)
Stoich.:	A2B5C7D25E29 (1)
Weight, g/mol:	563.218699
ΔH_f, kcal/mol:	-200.46
Dipole, Da:	2.02
IP(EA), eV:	-8.71(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-3-(4-ethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)S(=O)(=O)N6CCOCC6

DOS

IR

Vibrations