Geometry & MOs

Info

ID:	196358
PubChem CID:	78815037
Reduced:	ClOSN5H18C19 (1)
Stoich.:	ABCD5E18F19 (1)
Weight, g/mol:	444.065904
ΔH_f, kcal/mol:	84.22
Dipole, Da:	3.28
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(N2CC3=CC=CO3)SCC4=NC=C(N4C)Cl

DOS

IR

Vibrations