Geometry & MOs

Info

ID:	134675
PubChem CID:	51737768
Reduced:	N3O3C31H43 (1)
Stoich.:	A3B3C31D43 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-137.01
Dipole, Da:	2.37
IP(EA), eV:	-9.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(Z,2R)-1-(tert-butylamino)-1-oxopent-3-en-2-yl]-cyclohexylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=CC=C1)N(C2CCCCC2)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations