Geometry & MOs

Info

ID:

327641

PubChem CID:

126690593

Reduced:

F3N5O7C44H58 (1)

Stoich.:

A3B5C7D44E58 (1)

Weight, g/mol:

1239.392523

ΔHf, kcal/mol:

-402.36

Dipole, Da:

7.29

IP(EA), eV:

 -8.84(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[3-[6-[[4-[2-[4-[carboxymethyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]carbamoyl]anilino]-2-oxoethyl]-3-(trifluoromethyl)phenoxy]methyl]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methyl-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1CCC(C=C1)C2CCC(C=C2)C3NC(NO3)C4=CC=C(CC4)CN(CC(=O)NC(C)(C)C(=O)O)C(=O)C5=CC=C(CC5)NC(=O)CC6CCC(=CC6C(F)(F)F)O

DOS

IR

Vibrations