Geometry & MOs

Info

ID:	381586
PubChem CID:	134972369
Reduced:	NSO4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	532.212885
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	4.38
IP(EA), eV:	-8.86(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-(4-chlorophenyl)-4-cyano-4-[(3,4-dimethoxyphenyl)methylideneamino]-5-phenylpentanoate

Drug info:

PubChemData

Smile

COC(=O)C(CSCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations