Geometry & MOs

Info

ID:	174561
PubChem CID:	75785067
Reduced:	SN4O4H7C15 (1)
Stoich.:	AB4C4D7E15 (1)
Weight, g/mol:	402.127623
ΔH_f, kcal/mol:	94.24
Dipole, Da:	7.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.176602
Charge, e:	-1

Chem-info

IUPAC name:

2-[(6-ethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)N=C(C(=CC3=CC=C(O3)[N+](=O)[O-])C#N)[O-]

DOS

IR

Vibrations