Geometry & MOs

Info

ID:

426061

PubChem CID:

135135703

Reduced:

FCl2O2N4H21C23 (1)

Stoich.:

AB2C2D4E21F23 (1)

Weight, g/mol:

598.186161

ΔHf, kcal/mol:

-55.48

Dipole, Da:

3.15

IP(EA), eV:

 -8.78(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[(1R)-2-(3-methyl-1,2-oxazol-5-yl)cyclopropyl]-1-[3-[[(4S)-4-methyl-1-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1lambda4,2-benzothiazepin-2-yl]methyl]phenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=CC=C(C=C2)NC(=O)C3=CC(=CN3)C(=O)C4=C(C=CC(=C4F)Cl)Cl

DOS

IR

Vibrations