Geometry & MOs

Info

ID:	61934
PubChem CID:	26715970
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	446.104876
ΔH_f, kcal/mol:	-139.91
Dipole, Da:	4.82
IP(EA), eV:	-8.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@H](O2)C)/C=C/C(=O)NNC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations