Geometry & MOs

Info

ID:

446823

PubChem CID:

135278008

Reduced:

N3O4C18H31 (2)

Stoich.:

A3B4C18D31 (2)

Weight, g/mol:

517.354943

ΔHf, kcal/mol:

-372.62

Dipole, Da:

8.31

IP(EA), eV:

 -8.67(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[3-methyl-2-[methyl(sulfanylmethyl)amino]butanoyl]amino]butanoyl]amino]heptanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C(C)C)N(C)CCCC(=O)NNC(=O)CCCCCN1C(=C)C=CC1=O

DOS

IR

Vibrations