Geometry & MOs

Info

ID:	34879
PubChem CID:	7979046
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	4.46
IP(EA), eV:	-9.39(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[(3,4-dimethylbenzoyl)amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations