Geometry & MOs

Info

ID:

170976

PubChem CID:

75307482

Reduced:

NO4C64H119 (1)

Stoich.:

AB4C64D119 (1)

Weight, g/mol:

788.34934

ΔHf, kcal/mol:

-300.39

Dipole, Da:

2.1

IP(EA), eV:

 -8.61(1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[3-methoxy-1-[2-[5-[4-[3-[[1-[3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-1,2-benzoxazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCCOCC(COCC(CCCN(C)C)OCCCCCCCCC=CCC=CCCCCC)OCCCCCCCCC=CCC=CCCCCC

DOS

IR

Vibrations