Geometry & MOs

Info

ID:	44264
PubChem CID:	10502269
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	421.132335
ΔH_f, kcal/mol:	-156.28
Dipole, Da:	4.29
IP(EA), eV:	-8.68(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-phenyl 2-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]-2-phenylethanethioate

Drug info:

PubChemData

Smile

COC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC4=C(C=C3)NCC4

DOS

IR

Vibrations