Geometry & MOs

Info

ID:	178064
PubChem CID:	76272137
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-201.55
Dipole, Da:	5.5
IP(EA), eV:	-9.24(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-carbamoylanilino)-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations