Geometry & MOs

Info

ID:	157197
PubChem CID:	56422385
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	7.88
Dipole, Da:	5.26
IP(EA), eV:	-9.38(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-amino-1-oxobutan-2-yl)sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CCC(C(=O)N)SC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(C)C

DOS

IR

Vibrations