Geometry & MOs

Info

ID:	33581
PubChem CID:	7887074
Reduced:	OS2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	30.54
Dipole, Da:	7.5
IP(EA), eV:	-8.76(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-N-(3,4,5-trimethoxyphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)NC3=CC=NN3C(C)C)C

DOS

IR

Vibrations