Geometry & MOs

Info

ID:	28066
PubChem CID:	825368
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	-103.62
Dipole, Da:	7.44
IP(EA), eV:	-9.46(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1-phenylthiourea

Drug info:

PubChemData

Smile

C[C@@]12CC3=C(C(=O)CC(C3)(C)C)[C@](C1)(CC(C2)(C)C)O

DOS

IR

Vibrations