Geometry & MOs

Info

ID:	32842
PubChem CID:	7848870
Reduced:	SN4O5H16C19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-81.04
Dipole, Da:	3.51
IP(EA), eV:	-9.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(furan-2-ylmethyl)-4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations