Geometry & MOs

Info

ID:	423269
PubChem CID:	135119217
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-32.99
Dipole, Da:	8.89
IP(EA), eV:	-8.91(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamidophenyl)-2-[methyl-[(3-methylsulfanylphenyl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CN=CC(=N2)N3C[C@H]([C@@H](C3)O)CC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations