Geometry & MOs

Info

ID:	380222
PubChem CID:	134970592
Reduced:	SO5C15H20 (1)
Stoich.:	AB5C15D20 (1)
Weight, g/mol:	158.062618
ΔH_f, kcal/mol:	-177.07
Dipole, Da:	5.06
IP(EA), eV:	-10.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(3-methyldiazirin-3-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)/C=C/COCS(=O)(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations