Geometry & MOs

Info

ID:	77805
PubChem CID:	49661575
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	455.104812
ΔH_f, kcal/mol:	-109.06
Dipole, Da:	5.34
IP(EA), eV:	-9.09(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-chloro-4-fluorophenyl)-2-[ethyl(furan-2-ylmethyl)amino]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N(CC4=CC=CO4)C5CCCC5

DOS

IR

Vibrations