Geometry & MOs

Info

ID:	132828
PubChem CID:	51427836
Reduced:	NF2O5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	374.171596
ΔH_f, kcal/mol:	-305.31
Dipole, Da:	3.53
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S,3S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations