Geometry & MOs

Info

ID:

186347

PubChem CID:

77423711

Reduced:

NSO5C34H35 (1)

Stoich.:

ABC5D34E35 (1)

Weight, g/mol:

757.444821

ΔHf, kcal/mol:

-110.56

Dipole, Da:

5.81

IP(EA), eV:

 -8.88(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[1-(tert-butylsulfonylmethyl)-2,6-dimethylcyclohexyl]carbamoylamino]-2-(cyclohexen-1-yl)acetyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=C(C=C2)C(=CCOC3=CC(=C(C=C3)OCC(=O)O)C)C4=CC=C(C=C4)CN5CCOCC5

DOS

IR

Vibrations