Geometry & MOs

Info

ID:	34805
PubChem CID:	7978954
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	403.102434
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	1.72
IP(EA), eV:	-9.1(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations