Geometry & MOs

Info

ID:	65441
PubChem CID:	29214985
Reduced:	FOSN7H20C22 (1)
Stoich.:	ABCD7E20F22 (1)
Weight, g/mol:	426.175933
ΔH_f, kcal/mol:	82.02
Dipole, Da:	6.57
IP(EA), eV:	-8.61(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-1-[[(2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)NC(=O)CSC2=NN=C(N2N)N/N=C\C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations