Geometry & MOs

Info

ID:

191847

PubChem CID:

78194205

Reduced:

O3N7C20H31 (1)

Stoich.:

A3B7C20D31 (1)

Weight, g/mol:

652.347215

ΔHf, kcal/mol:

-109.05

Dipole, Da:

4.77

IP(EA), eV:

 -9.35(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(7-methoxy-2-propan-2-ylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NC(CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations