Geometry & MOs

Info

ID:	175717
PubChem CID:	75941067
Reduced:	BrNO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	3.0
IP(EA), eV:	-8.69(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(CCN(C2)C(=O)C(C)OC3=CC=C(C=C3)Br)C=C1

DOS

IR

Vibrations