Geometry & MOs

Info

ID:

297977

PubChem CID:

117644517

Reduced:

ClS3N4O17H43C44 (1)

Stoich.:

AB3C4D17E43F44 (1)

Weight, g/mol:

575.240479

ΔHf, kcal/mol:

-471.02

Dipole, Da:

8.94

IP(EA), eV:

 -9.24(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[5-carbamoyl-3-fluoro-6-[[6-methyl-5-(triazol-2-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]-5-phenylmethoxycyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-].CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl

DOS

IR

Vibrations