Geometry & MOs

Info

ID:

173144

PubChem CID:

75603861

Reduced:

FN6O7C35H43 (1)

Stoich.:

AB6C7D35E43 (1)

Weight, g/mol:

729.38614

ΔHf, kcal/mol:

-288.01

Dipole, Da:

5.54

IP(EA), eV:

 -9.2(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-[[2-[[1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

DOS

IR

Vibrations