Geometry & MOs

Info

ID:	159821
PubChem CID:	57288786
Reduced:	N5C24H31 (1)
Stoich.:	A5B24C31 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	53.61
Dipole, Da:	2.57
IP(EA), eV:	-8.26(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3-methylsulfanylphenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N(C)C)C)CC2C[C@H]3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C

DOS

IR

Vibrations