Geometry & MOs

Info

ID:	80365
PubChem CID:	49834175
Reduced:	O3N6C28H30 (1)
Stoich.:	A3B6C28D30 (1)
Weight, g/mol:	488.128504
ΔH_f, kcal/mol:	-18.23
Dipole, Da:	3.93
IP(EA), eV:	-8.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyacetyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1-methylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCNC1=C(N=CC(=C1)C2=CC3=C4C(=CN=C3C=C2)N(C(=O)N4C5=C(N=C(C=C5)OCCOC)C)C)C

DOS

IR

Vibrations