Geometry & MOs

Info

ID:	189183
PubChem CID:	77825735
Reduced:	ClN3O5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	524.29987
ΔH_f, kcal/mol:	-211.01
Dipole, Da:	3.89
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2,3-dihydroxy-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]-4-oxobutanoyl]amino]butyl]-1-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C=CC=C2Cl)C(=C1)OC3CC(N(C3)C(=O)OC(C)(C)C)C(=O)N

DOS

IR

Vibrations