Geometry & MOs

Info

ID:	164973
PubChem CID:	74480145
Reduced:	BrN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	471.22436
ΔH_f, kcal/mol:	-73.21
Dipole, Da:	18.12
IP(EA), eV:	-8.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[4-[[[2-(2,4-dioxo-4aH-quinazolin-3-yl)acetyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

C[NH+](C)CCN1C(C(=C(C2=CC(=CC=C2)OC)[O-])C(=O)C1=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations