Geometry & MOs

Info

ID:

426131

PubChem CID:

135140934

Reduced:

SF2N4O7C38H52 (1)

Stoich.:

AB2C4D7E38F52 (1)

Weight, g/mol:

556.223432

ΔHf, kcal/mol:

-351.85

Dipole, Da:

6.19

IP(EA), eV:

 -7.24(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[6-[(4-amino-2-fluorophenyl)methoxy]pyridin-2-yl]piperidin-1-yl]methyl]-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)N(CC[C@@H](CNC(=O)CCC(=O)O)NC(=O)OCCS(C)(C)C)C(=O)CO

DOS

IR

Vibrations