Geometry & MOs

Info

ID:	403901
PubChem CID:	135062497
Reduced:	OC18H28 (1)
Stoich.:	AB18C28 (1)
Weight, g/mol:	473.071528
ΔH_f, kcal/mol:	-36.75
Dipole, Da:	2.08
IP(EA), eV:	-8.51(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-methyl-4-[(2-nitrophenyl)sulfonylamino]-2-oxo-N-phenyl-4-thiophen-3-ylbutanamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@@H](C1)O/C=C\2/CC3CC2C=C3)C(C)C

DOS

IR

Vibrations