Geometry & MOs

Info

ID:	43930
PubChem CID:	10322117
Reduced:	NS2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	462.197714
ΔH_f, kcal/mol:	-139.97
Dipole, Da:	9.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.149679
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C(C=C3)(SC)SC)[O-])OC)OC)OC

DOS

IR

Vibrations