Geometry & MOs

Info

ID:	44300
PubChem CID:	10502591
Reduced:	NO7C23H25 (1)
Stoich.:	AB7C23D25 (1)
Weight, g/mol:	427.185569
ΔH_f, kcal/mol:	-211.94
Dipole, Da:	2.72
IP(EA), eV:	-8.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[2-(2,4-dioxo-6-piperazin-1-yl-1H-quinazolin-3-yl)acetyl]amino]pent-4-ynoate

Drug info:

PubChemData

Smile

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC)N

DOS

IR

Vibrations