Geometry & MOs

Info

ID:	220009
PubChem CID:	85165139
Reduced:	NPO8C35H38 (1)
Stoich.:	ABC8D35E38 (1)
Weight, g/mol:	631.198836
ΔH_f, kcal/mol:	-264.88
Dipole, Da:	5.18
IP(EA), eV:	-9.32(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6,7-dimethoxy-1-[2-(phenylmethoxycarbonylsulfamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N(C1C(C(C(OP1(=O)O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations