Geometry & MOs

Info

ID:	138864
PubChem CID:	52435762
Reduced:	N4O5C22H32 (1)
Stoich.:	A4B5C22D32 (1)
Weight, g/mol:	474.139548
ΔH_f, kcal/mol:	-205.35
Dipole, Da:	8.95
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]acetamide

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CCC)N

DOS

IR

Vibrations