Geometry & MOs

Info

ID:	127564
PubChem CID:	51006182
Reduced:	SN3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	337.161269
ΔH_f, kcal/mol:	123.17
Dipole, Da:	4.47
IP(EA), eV:	-8.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-[(1S,2S,6R,7S,8S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea

Drug info:

PubChemData

Smile

C1C=C[C@@H]2[C@@H]1[C@H]3C[C@@H]2[C@@H](C3)NC(=S)N/N=C\C=C\C4=CC=CC=C4

DOS

IR

Vibrations