Geometry & MOs

Info

ID:	398593
PubChem CID:	135034153
Reduced:	SN2O6C30H40 (1)
Stoich.:	AB2C6D30E40 (1)
Weight, g/mol:	418.142508
ΔH_f, kcal/mol:	-266.6
Dipole, Da:	1.85
IP(EA), eV:	-8.8(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydryl-3,3-bis(ethylsulfanyl)-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@H]([C@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CS)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C

DOS

IR

Vibrations