Geometry & MOs

Info

ID:	391229
PubChem CID:	135003665
Reduced:	N4O4C17H26 (1)
Stoich.:	A4B4C17D26 (1)
Weight, g/mol:	418.168128
ΔH_f, kcal/mol:	-135.19
Dipole, Da:	9.69
IP(EA), eV:	-9.95(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4R)-6,6-dicyano-2-methylidene-3,4,5-triphenylhex-5-enoate

Drug info:

PubChemData

Smile

CC[C@@H](C=C(C#N)C#N)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations