Geometry & MOs

Info

ID:	181979
PubChem CID:	76822437
Reduced:	NF2O4C30H41 (1)
Stoich.:	AB2C4D30E41 (1)
Weight, g/mol:	642.149444
ΔH_f, kcal/mol:	-282.63
Dipole, Da:	4.14
IP(EA), eV:	-8.9(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzothiophene-2-carbonylamino)-6-[[4-(1-benzothiophen-2-yl)-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-4-oxohexanoic acid

Drug info:

PubChemData

Smile

CCCC(C1=C(C(=CC=C1)F)CCC(=O)OCC)OCC(CN2CCCC2CC3=CC(=C(C=C3)C)F)O

DOS

IR

Vibrations