Geometry & MOs

Info

ID:	80647
PubChem CID:	49835728
Reduced:	ClFSN3O5C19H21 (1)
Stoich.:	ABCD3E5F19G21 (1)
Weight, g/mol:	528.04889
ΔH_f, kcal/mol:	-210.3
Dipole, Da:	4.55
IP(EA), eV:	-9.58(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R)-2-[(4-chloro-2,6-difluorophenyl)methoxy]-4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide

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

C1COCCN1C(=O)[C@@H]2C[C@@H](C[C@H]2C(=O)NCC#N)S(=O)(=O)C3=CC(=C(C=C3)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

C1COCCN1C(=O)[C@@H]2C[C@@H](C[C@H]2C(=O)NCC#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):