Geometry & MOs

Info

ID:

186896

PubChem CID:

77501566

Reduced:

FO3N7H26C28 (1)

Stoich.:

AB3C7D26E28 (1)

Weight, g/mol:

564.341067

ΔHf, kcal/mol:

22.0

Dipole, Da:

6.71

IP(EA), eV:

 -8.73(-2.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=C(C=C(C=C3)OC4C=CN=C5C4=NC(=O)C=N5)F

DOS

IR

Vibrations