Geometry & MOs

Info

ID:	152904
PubChem CID:	56311993
Reduced:	O3N5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	460.214427
ΔH_f, kcal/mol:	-104.81
Dipole, Da:	4.88
IP(EA), eV:	-8.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylmethyl(1-phenylethyl)amino]-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN(CC2CC2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations