Geometry & MOs

Info

ID:	176451
PubChem CID:	76050680
Reduced:	N2S2O3C17H22 (1)
Stoich.:	A2B2C3D17E22 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	2.44
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-[(8-methylidene-4-oxoquinazolin-2-yl)methyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CSC(SC1)C2=CC=C(C=C2)OCC(=O)NC3CNCCC3=O

DOS

IR

Vibrations