Geometry & MOs

Info

ID:	167711
PubChem CID:	74860995
Reduced:	OS3N5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	58.49
Dipole, Da:	6.11
IP(EA), eV:	-8.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2NC3C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2)C5=CC=CS5

DOS

IR

Vibrations