Geometry & MOs

Info

ID:	162066
PubChem CID:	57393499
Reduced:	NO2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	-61.92
Dipole, Da:	2.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750979
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-5-hydroxy-4-(4-methoxyphenyl)sulfanylfuro[2,3-f]quinazoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1CCCC1)(C2=CC=CC=C2)C(=O)O[C@@H]3CC[N+](C3)(C)C

DOS

IR

Vibrations