Geometry & MOs

Info

ID:

128250

PubChem CID:

51036836

Reduced:

O6N9C50H67 (1)

Stoich.:

A6B9C50D67 (1)

Weight, g/mol:

635.322003

ΔHf, kcal/mol:

-254.41

Dipole, Da:

3.59

IP(EA), eV:

 -8.86(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-3-[[[5-[6-[2-[(2S)-1-(oxolane-2-carbonyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)N2CC[C@@H](C2)CNC3=NC=C(C=N3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N6)[C@H]7CCCN7C(=O)C8CCC(CC8)NC(=O)OC(C)(C)C

DOS

IR

Vibrations