Geometry & MOs

Info

ID:	170697
PubChem CID:	75268900
Reduced:	OSN2C10H12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	374.147786
ΔH_f, kcal/mol:	-13.64
Dipole, Da:	3.59
IP(EA), eV:	-8.9(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl 3-ethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)C(C)N3CCC(CC3)NC(=O)C4=CSC=C4)C

DOS

IR

Vibrations