Geometry & MOs

Info

ID:	368403
PubChem CID:	127328328
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-83.15
Dipole, Da:	3.13
IP(EA), eV:	-8.67(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCNC(=O)C2(CCCC2)SC3=CC=CC=C3

DOS

IR

Vibrations