Geometry & MOs

Info

ID:	75123
PubChem CID:	48423032
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	1.29
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[(1-phenylpyrazol-4-yl)methylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C(C)OCC3CC3

DOS

IR

Vibrations