Geometry & MOs

Info

ID:	193369
PubChem CID:	78383468
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	457.154566
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	2.68
IP(EA), eV:	-8.68(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxo-4aH-quinazolin-1-ium-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)N(C1=O)CC2=C(C=CC(=C2)C)C)CCOC3=CC=C(C=C3)C

DOS

IR

Vibrations