Geometry & MOs

Info

ID:	13746
PubChem CID:	397477
Reduced:	NSO2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	355.1606
ΔH_f, kcal/mol:	-36.01
Dipole, Da:	5.94
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1=CC(=CC=C1)OC)C(=O)C=CSC2=CC=CC=C2

DOS

IR

Vibrations