Geometry & MOs

Info

ID:

340085

PubChem CID:

127262094

Reduced:

O4N6C27H32 (1)

Stoich.:

A4B6C27D32 (1)

Weight, g/mol:

431.253255

ΔHf, kcal/mol:

-115.85

Dipole, Da:

7.56

IP(EA), eV:

 -8.96(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[amino-[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC3=CN=CN3)C(=O)N

DOS

IR

Vibrations