Geometry & MOs

Info

ID:	134769
PubChem CID:	51753641
Reduced:	ClN3O5C22H28 (1)
Stoich.:	AB3C5D22E28 (1)
Weight, g/mol:	512.198108
ΔH_f, kcal/mol:	-126.34
Dipole, Da:	5.51
IP(EA), eV:	-9.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]pentanamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(CC1=CC=CO1)[C@@H](C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)NC(C)(C)C

DOS

IR

Vibrations