Geometry & MOs

Info

ID:	64095
PubChem CID:	29196104
Reduced:	SN3O3C27H27 (1)
Stoich.:	AB3C3D27E27 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	4.94
IP(EA), eV:	-8.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)C[C@@H]5CCCO5

DOS

IR

Vibrations