Geometry & MOs

Info

ID:	352829
PubChem CID:	127283919
Reduced:	S2N4O5C13H22 (1)
Stoich.:	A2B4C5D13E22 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-194.09
Dipole, Da:	5.21
IP(EA), eV:	-9.74(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)S(=O)(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations