Geometry & MOs

Info

ID:	348612
PubChem CID:	127273723
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	9.48
IP(EA), eV:	-9.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2CCCN2CC3=NS(=O)(=O)C4=CC=CC=C4N3)C

DOS

IR

Vibrations