Geometry & MOs

Info

ID:	185855
PubChem CID:	77360687
Reduced:	ClN3O7C30H38 (1)
Stoich.:	AB3C7D30E38 (1)
Weight, g/mol:	634.307658
ΔH_f, kcal/mol:	-229.2
Dipole, Da:	11.28
IP(EA), eV:	-8.48(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[4-(2-acetamidopropoxy)benzoyl]amino]-5-phenylmethoxyphenyl]sulfanylmethyl]-3-ethyloctanoic acid

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C(=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)CNCC5CCCCCC5)Cl

DOS

IR

Vibrations