Geometry & MOs

Info

ID:	219436
PubChem CID:	85148665
Reduced:	SN4O7C23H32 (1)
Stoich.:	AB4C7D23E32 (1)
Weight, g/mol:	508.247441
ΔH_f, kcal/mol:	-286.46
Dipole, Da:	9.01
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-amino-3-oxo-3-[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-3,5-dimethylphenyl] acetate

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C(C)N2C(=O)C(NC2=O)CSC3=C(N4C(C3C)C(C4=O)C(C)O)C(=O)O

DOS

IR

Vibrations