Geometry & MOs

Info

ID:	34787
PubChem CID:	7978936
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	405.151098
ΔH_f, kcal/mol:	-148.49
Dipole, Da:	6.24
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[[2-(2-phenylphenoxy)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations