Geometry & MOs

Info

ID:	30566
PubChem CID:	841514
Reduced:	SN3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	51.94
Dipole, Da:	4.58
IP(EA), eV:	-8.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NC2=C(C=CC=N2)C

DOS

IR

Vibrations