Geometry & MOs

Info

ID:	317231
PubChem CID:	126634567
Reduced:	ClSO2N4C24H33 (1)
Stoich.:	ABC2D4E24F33 (1)
Weight, g/mol:	519.34207
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	4.41
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylcarbamoyl)hexyl]-1-[2-[[1-[(E)-3-hydroxyprop-2-enyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCC(CC3)C(=O)NCCCSN4CCCC4

DOS

IR

Vibrations