Geometry & MOs

Info

ID:	405659
PubChem CID:	135074869
Reduced:	NSO2H23C25 (1)
Stoich.:	ABC2D23E25 (1)
Weight, g/mol:	438.230728
ΔH_f, kcal/mol:	34.17
Dipole, Da:	5.43
IP(EA), eV:	-8.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)imino-4-phenylbut-2-ynyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C#CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations