Geometry & MOs

Info

ID:	230921
PubChem CID:	87572251
Reduced:	SN2O2F3C9H11 (1)
Stoich.:	AB2C2D3E9F11 (1)
Weight, g/mol:	971.490525
ΔH_f, kcal/mol:	-201.93
Dipole, Da:	4.8
IP(EA), eV:	-9.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-carbamoyl-2-[4-[(2R,5R)-5-[4-[(2S)-2-carbamoyl-1-[(2S)-2-(carboxyamino)-3-methylbutanoyl]pyrrolidin-2-yl]phenyl]-1-[4-(6-morpholin-4-ylpyridin-3-yl)phenyl]pyrrolidin-2-yl]phenyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

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(C1=CC(=C(C(=C1F)F)NS(=O)(=O)C)F)N

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(C1=CC(=C(C(=C1F)F)NS(=O)(=O)C)F)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):