Geometry & MOs

Info

ID:	214383
PubChem CID:	84981797
Reduced:	SN2O5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	387.209282
ΔH_f, kcal/mol:	-174.6
Dipole, Da:	2.27
IP(EA), eV:	-8.63(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylheptyl)-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea

Drug info:

PubChemData

Smile

CNC(=O)COC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations