Geometry & MOs

Info

ID:	134737
PubChem CID:	51748430
Reduced:	N3O3C31H39 (1)
Stoich.:	A3B3C31D39 (1)
Weight, g/mol:	494.187543
ΔH_f, kcal/mol:	-75.56
Dipole, Da:	2.84
IP(EA), eV:	-8.14(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[(E,2R)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxohept-3-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)N(CC1=CC=CO1)[C@H](C2=CC=C(C=C2)N(C)C)C(=O)NC3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations