Geometry & MOs

Info

ID:

389040

PubChem CID:

134990970

Reduced:

OC10H16 (2)

Stoich.:

AB10C16 (2)

Weight, g/mol:

1265.59771

ΔHf, kcal/mol:

-139.98

Dipole, Da:

3.29

IP(EA), eV:

 -9.6(1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-1-[(2S)-2-[[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-benzylsulfanyl-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2R)-2-(3-benzylsulfanylpropanoylamino)-3-(4-ethoxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanediamide

Drug info:

PubChemData

Smile

CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@H]34)O)C)O

DOS

IR

Vibrations