Geometry & MOs

Info

ID:	143070
PubChem CID:	53142251
Reduced:	FOSN5C21H26 (1)
Stoich.:	ABCD5E21F26 (1)
Weight, g/mol:	424.11246
ΔH_f, kcal/mol:	-26.89
Dipole, Da:	6.58
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations