Geometry & MOs

Info

ID:	391096
PubChem CID:	135002779
Reduced:	NO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	397.221286
ΔH_f, kcal/mol:	-18.24
Dipole, Da:	0.53
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4S)-2-cyano-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]hex-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C3C(=C1)C4=C(CC5=CC=C(N53)C2)C=CC(=C4)C

DOS

IR

Vibrations