Geometry & MOs

Info

ID:	146282
PubChem CID:	53664421
Reduced:	N4O5C33H38 (1)
Stoich.:	A4B5C33D38 (1)
Weight, g/mol:	304.014506
ΔH_f, kcal/mol:	-172.62
Dipole, Da:	2.52
IP(EA), eV:	-9.05(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2C[C@@H](N(C(=O)[C@@H](C2)N(C3=CC=CC(=C3)C(=O)O)C(=O)N)CC(=O)NC(C)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations