Geometry & MOs

Info

ID:

168187

PubChem CID:

74934846

Reduced:

PN5C11O12H24 (1)

Stoich.:

AB5C11D12E24 (1)

Weight, g/mol:

757.310512

ΔHf, kcal/mol:

-629.32

Dipole, Da:

8.36

IP(EA), eV:

 -10.1(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[2-[[1-[2-amino-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C(C(C(=O)O)N)C(=O)N.C(C(C(=O)O)N)C(=O)N.C(C(C(=O)OP(=O)(O)O)N)O

DOS

IR

Vibrations