Geometry & MOs

Info

ID:	339483
PubChem CID:	127261416
Reduced:	N5O5C11H17 (1)
Stoich.:	A5B5C11D17 (1)
Weight, g/mol:	198.046299
ΔH_f, kcal/mol:	-176.98
Dipole, Da:	10.82
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

formic acid;phenylthiourea

Drug info:

PubChemData

Smile

CN(C=O)C1=C(NC(=NC1=O)N)N[C@@H]2C[C@@H]([C@H](O2)CO)O

DOS

IR

Vibrations