Geometry & MOs

Info

ID:	199543
PubChem CID:	79264846
Reduced:	ClN2F3O3C12H12 (1)
Stoich.:	AB2C3D3E12F12 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-277.81
Dipole, Da:	5.18
IP(EA), eV:	-9.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC(=O)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations