Geometry & MOs

Info

ID:	152664
PubChem CID:	56311693
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	481.148298
ΔH_f, kcal/mol:	-149.65
Dipole, Da:	4.99
IP(EA), eV:	-8.53(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations