Geometry & MOs

Info

ID:	300507
PubChem CID:	121360349
Reduced:	NSH23C30 (1)
Stoich.:	ABC23D30 (1)
Weight, g/mol:	444.241293
ΔH_f, kcal/mol:	118.83
Dipole, Da:	2.8
IP(EA), eV:	-8.12(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(2-phenylethyl)-4-phenylmethoxy-2-(prop-1-en-2-ylamino)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=CC(=C2)C3=CC(=C(C=C3)S)C4=CC=CC=C4)NC5=CC=CC=C5

DOS

IR

Vibrations