Geometry & MOs

Info

ID:	328729
PubChem CID:	126726951
Reduced:	ClFSN2O4C27H34 (1)
Stoich.:	ABCD2E4F27G34 (1)
Weight, g/mol:	596.092647
ΔH_f, kcal/mol:	-198.5
Dipole, Da:	7.4
IP(EA), eV:	-9.07(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-4-[[1-[[2,3-dichloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)C1=CC(=C(C=C1)CN2CCC[C@H](C2)OC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C)F)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)C1=CC(=C(C=C1)CN2CCC[C@H](C2)OC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C)F)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):