Geometry & MOs

Info

ID:	157471
PubChem CID:	56430375
Reduced:	ClSN4O4H17C19 (1)
Stoich.:	ABC4D4E17F19 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	-69.38
Dipole, Da:	4.68
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(=O)NCC2=NC(=CS2)C3=CC=NC=C3)Cl)OCC(=O)N

DOS

IR

Vibrations