Geometry & MOs

Info

ID:	416966
PubChem CID:	135090929
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	5.07
IP(EA), eV:	-8.3(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-[[(1S,5S,6R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations