Geometry & MOs

Info

ID:	303529
PubChem CID:	124489864
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	374.145342
ΔH_f, kcal/mol:	-189.18
Dipole, Da:	2.82
IP(EA), eV:	-9.34(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[2-acetamidoethyl-[4-(trifluoromethyl)benzoyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC[C@H](C)N(CCC(=O)OCC)C(=O)COC1=C(C=CC=C1C)C

DOS

IR

Vibrations