Geometry & MOs

Info

ID:	195930
PubChem CID:	78750189
Reduced:	S2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	3.45
IP(EA), eV:	-9.15(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-phenylanilino)propan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

DOS

IR

Vibrations