Geometry & MOs

Info

ID:	34807
PubChem CID:	7978956
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	403.135448
ΔH_f, kcal/mol:	-169.53
Dipole, Da:	5.32
IP(EA), eV:	-9.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-3-benzyl-1-methylthiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations