Geometry & MOs

Info

ID:	138136
PubChem CID:	52317134
Reduced:	ON8C23H25 (1)
Stoich.:	AB8C23D25 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	103.04
Dipole, Da:	8.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.092928
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-carbamoyl-2-(2-methoxyphenyl)sulfanyl-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=[NH+]C(=CC=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)CN4C=NC5=CC=CC=C54

DOS

IR

Vibrations