Geometry & MOs

Info

ID:

84781

PubChem CID:

49869841

Reduced:

NO6H15C19 (1)

Stoich.:

AB6C15D19 (1)

Weight, g/mol:

839.43301

ΔHf, kcal/mol:

-195.64

Dipole, Da:

12.17

IP(EA), eV:

 -9.86(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC3=C(C=C2)C(=O)C(=C(O3)O)C(=O)NCC(=O)O

DOS

IR

Vibrations