Geometry & MOs

Info

ID:	34844
PubChem CID:	7979001
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	31.3
Dipole, Da:	8.63
IP(EA), eV:	-8.4(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[[(E)-3-phenylprop-2-enoyl]amino]thiourea

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations