Geometry & MOs

Info

ID:	157974
PubChem CID:	56459363
Reduced:	BrSN3O3C20H26 (1)
Stoich.:	ABC3D3E20F26 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	1.96
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)NCC3=CC=C(S3)Br

DOS

IR

Vibrations