Geometry & MOs

Info

ID:	218809
PubChem CID:	85090009
Reduced:	FO9C26H37 (1)
Stoich.:	AB9C26D37 (1)
Weight, g/mol:	510.157306
ΔH_f, kcal/mol:	-478.47
Dipole, Da:	2.43
IP(EA), eV:	-9.48(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[4-(2-amino-6-methylidene-4-oxoquinazolin-5-yl)sulfanylbenzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(C)C1C2=C(CCC1(CCC(=O)OCCC(CC(CC(=O)O)O)O)OC(=O)COC)C=C(C=C2)F

DOS

IR

Vibrations