Geometry & MOs

Info

ID:	307612
PubChem CID:	125307742
Reduced:	ClON4H25C27 (1)
Stoich.:	ABC4D25E27 (1)
Weight, g/mol:	452.180818
ΔH_f, kcal/mol:	76.26
Dipole, Da:	4.7
IP(EA), eV:	-9.03(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S)-3-[(R)-carboxy-(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-indol-6-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC(=O)CC(=N2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations