Geometry & MOs

Info

ID:

187802

PubChem CID:

77626900

Reduced:

FSN2O8C28H33 (1)

Stoich.:

ABC2D8E28F33 (1)

Weight, g/mol:

494.238099

ΔHf, kcal/mol:

-332.51

Dipole, Da:

2.92

IP(EA), eV:

 -9.0(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(3,5-difluorophenyl)-4-[(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-hydroxybutan-2-yl]-phenylcarbamic acid

Drug info:

PubChemData

Smile

CC1C2=C(C=C3C(=C2)C(=C(O3)C4=CC=C(C=C4)F)C(=O)NC)N(CC(O1)COCC5COC(O5)(C)C)S(=O)(=O)C

DOS

IR

Vibrations