Geometry & MOs

Info

ID:

307829

PubChem CID:

125309679

Reduced:

BrSN2H15C19 (1)

Stoich.:

ABC2D15E19 (1)

Weight, g/mol:

575.259128

ΔHf, kcal/mol:

97.97

Dipole, Da:

1.4

IP(EA), eV:

 -8.56(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-5-(carbamoylamino)-2-[[(2R,3S)-2-[[2-[[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1C=C(S[C@@H]1Br)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations