Geometry & MOs

Info

ID:	32844
PubChem CID:	7848884
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	369.078327
ΔH_f, kcal/mol:	-144.57
Dipole, Da:	7.41
IP(EA), eV:	-9.16(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

DOS

IR

Vibrations