Geometry & MOs

Info

ID:	35581
PubChem CID:	7980061
Reduced:	NO2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-66.98
Dipole, Da:	4.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126493
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)[NH2+]CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations