Geometry & MOs

Info

ID:	141076
PubChem CID:	52813775
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	460.085971
ΔH_f, kcal/mol:	-107.09
Dipole, Da:	6.21
IP(EA), eV:	-9.44(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-chlorophenyl)methyl]-2-[(2R)-1-ethoxy-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC(=O)C1=CC=CC=C1OC2=CN=CC=C2

DOS

IR

Vibrations