Geometry & MOs

Info

ID:	27870
PubChem CID:	823950
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	318.086056
ΔH_f, kcal/mol:	41.73
Dipole, Da:	4.62
IP(EA), eV:	-8.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]12CCCCC1=NC(=[N+]2[O-])C3=CC=CC=C3

DOS

IR

Vibrations