Geometry & MOs

Info

ID:	189997
PubChem CID:	77938072
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	535.246455
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	5.59
IP(EA), eV:	-8.56(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9-[2-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-2-(1,3-oxazol-2-ylamino)non-8-enoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C12CC1C=CCCCCCC(C(=O)N3CCCC3C(=O)N2)NC4=CC=CC=C4

DOS

IR

Vibrations