Geometry & MOs

Info

ID:	47122
PubChem CID:	10529734
Reduced:	O4N7H25C27 (1)
Stoich.:	A4B7C25D27 (1)
Weight, g/mol:	511.202859
ΔH_f, kcal/mol:	4.65
Dipole, Da:	8.29
IP(EA), eV:	-8.95(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[3,5-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-3-hydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1C(C(=O)N=C(N1)C2=CC=CC=C2)C3=CC=C(N3C)C4C(=O)N=C(NN4C(=O)C)C5=CC=CC=C5

DOS

IR

Vibrations