Geometry & MOs

Info

ID:	382823
PubChem CID:	134974192
Reduced:	SnN2O2C29H32 (1)
Stoich.:	AB2C2D29E32 (1)
Weight, g/mol:	667.15268
ΔH_f, kcal/mol:	13.86
Dipole, Da:	2.86
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[2-(4-butylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]-2-trimethylstannylpyrrolo[3,4-b]pyridine-5,7-dione

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=C2C=C(C=C3)[Sn](C)(C)C)C4=CC=CC=C4)OC

DOS

IR

Vibrations