Geometry & MOs

Info

ID:	218441
PubChem CID:	85089449
Reduced:	ClO3N6C22H35 (1)
Stoich.:	AB3C6D22E35 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-121.15
Dipole, Da:	7.06
IP(EA), eV:	-9.27(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[3-methyl-1-(4-methyl-2,5-dioxopyrrolidin-3-yl)-1-oxopentan-2-yl]amino]-3-oxo-1-phenylpropyl]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

C1CCNC(C1)C(=O)N(CCC2=CC=CC=C2)CC(=O)NC(CCCN=C(N)N)C=O.Cl

DOS

IR

Vibrations