Geometry & MOs

Info

ID:	237013
PubChem CID:	92716878
Reduced:	N3O3C27H35 (1)
Stoich.:	A3B3C27D35 (1)
Weight, g/mol:	461.103
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	8.18
IP(EA), eV:	-8.08(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C[C@H](COC2=CC3=C(C=C2)N(C(=C3C(=O)C)C)C4=CC=C(C=C4)C)O

DOS

IR

Vibrations