Geometry & MOs

Info

ID:	66080
PubChem CID:	46491039
Reduced:	FN2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	491.242021
ΔH_f, kcal/mol:	-142.22
Dipole, Da:	2.91
IP(EA), eV:	-10.0(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)butanoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC(CC(=O)OC)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations