Geometry & MOs

Info

ID:	187916
PubChem CID:	77642756
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	509.268985
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	3.02
IP(EA), eV:	-8.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclohexyl-2-[[2-[(2,6-dimethyl-4-prop-2-enylphenyl)carbamoylamino]-4-fluorobenzoyl]amino]propanoate

Drug info:

PubChemData

Smile

C1CC2C(CC1C3=CC=C(O3)OC(=O)NCC4=CC(=CC=C4)Cl)C(NN2)N

DOS

IR

Vibrations