Geometry & MOs

Info

ID:	417995
PubChem CID:	135103287
Reduced:	N5O6C33H51 (1)
Stoich.:	A5B6C33D51 (1)
Weight, g/mol:	355.092139
ΔH_f, kcal/mol:	-313.88
Dipole, Da:	3.63
IP(EA), eV:	-8.89(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)CC(C)C)C(C)C

DOS

IR

Vibrations