Geometry & MOs

Info

ID:	85737
PubChem CID:	49878636
Reduced:	FO3N4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	566.07223
ΔH_f, kcal/mol:	-174.93
Dipole, Da:	4.62
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C3=C(N2CC1(C)C(=O)NC4CCCCC4)C=CC(=C3)F)NC(=O)C

DOS

IR

Vibrations