Geometry & MOs

Info

ID:	162240
PubChem CID:	57394028
Reduced:	N4O7C40H40 (1)
Stoich.:	A4B7C40D40 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-99.62
Dipole, Da:	7.23
IP(EA), eV:	-8.63(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-4-ethylsulfanyl-5-hydroxyfuro[2,3-f]quinazoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)NCCOC(=O)C4=CC=C(C=C4)OCC5=[N+](ON=C5C6=CC=CC=C6)[O-])(C)C)C

DOS

IR

Vibrations