Geometry & MOs

Info

ID:	121313
PubChem CID:	50762912
Reduced:	N4O5C28H34 (1)
Stoich.:	A4B5C28D34 (1)
Weight, g/mol:	461.192626
ΔH_f, kcal/mol:	-193.71
Dipole, Da:	10.54
IP(EA), eV:	-8.63(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,4-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-3-yl]-N-propan-2-ylpentanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NC4CCCCC4

DOS

IR

Vibrations