Geometry & MOs

Info

ID:	244376
PubChem CID:	99344380
Reduced:	S2N4O4C17H26 (1)
Stoich.:	A2B4C4D17E26 (1)
Weight, g/mol:	472.076819
ΔH_f, kcal/mol:	-174.43
Dipole, Da:	9.75
IP(EA), eV:	-9.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-fluorophenoxy)-N-[(2S)-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-cyclopropylethyl]acetamide

Drug info:

PubChemData

Smile

C1CC1[C@H](CNC(=O)CCN2CCSC2=O)NC(=O)CCN3CCSC3=O

DOS

IR

Vibrations