Geometry & MOs

Info

ID:	193911
PubChem CID:	78455350
Reduced:	SN4O8C22H32 (1)
Stoich.:	AB4C8D22E32 (1)
Weight, g/mol:	510.214821
ΔH_f, kcal/mol:	-311.84
Dipole, Da:	8.22
IP(EA), eV:	-8.98(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methoxyphenyl)-2-[[4-methylsulfonyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CN(CCN2C(=O)N3CCOCC3)S(=O)(=O)C

DOS

IR

Vibrations