Geometry & MOs

Info

ID:

45170

PubChem CID:

10508685

Reduced:

SB2O2C43H72 (1)

Stoich.:

AB2C2D43E72 (1)

Weight, g/mol:

675.305684

ΔHf, kcal/mol:

-200.95

Dipole, Da:

2.67

IP(EA), eV:

 -7.96(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[4-[[(2S)-3-(1H-indol-3-yl)-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]-4-oxo-4-(2-phenylethylamino)butanoic acid

Drug info:

PubChemData

Smile

B([C@@H]1[C@H](CC[C@@H]2[C@H]1C2(C)C)C)([C@@H]3[C@H](CC[C@@H]4[C@H]3C4(C)C)C)OC(=CSC)OB([C@@H]5[C@H](CC[C@@H]6[C@H]5C6(C)C)C)[C@@H]7[C@H](CC[C@@H]8[C@H]7C8(C)C)C

DOS

IR

Vibrations