Geometry & MOs

Info

ID:	38553
PubChem CID:	8137048
Reduced:	F2N3O5C16H19 (1)
Stoich.:	A2B3C5D16E19 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-267.55
Dipole, Da:	5.74
IP(EA), eV:	-9.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC(=O)NCC(=O)NC2CC2)OC(F)F

DOS

IR

Vibrations