Geometry & MOs

Info

ID:	407009
PubChem CID:	135079102
Reduced:	NSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	369.113171
ΔH_f, kcal/mol:	-24.69
Dipole, Da:	6.65
IP(EA), eV:	-8.45(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-chlorophenyl)-2-(4-methoxyphenyl)iminobut-3-ynoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C)CC3=CC=CC=C32

DOS

IR

Vibrations