Geometry & MOs

Info

ID:	28433
PubChem CID:	827563
Reduced:	N2S2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	72.5
Dipole, Da:	6.19
IP(EA), eV:	-8.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-N-(2-methoxyphenyl)bicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

CN1C(=S)S[C@@H]2N1CCC3=CC=CC=C23

DOS

IR

Vibrations