Geometry & MOs

Info

ID:

438618

PubChem CID:

135228362

Reduced:

N14O14C63H100 (1)

Stoich.:

A14B14C63D100 (1)

Weight, g/mol:

443.28964

ΔHf, kcal/mol:

-604.61

Dipole, Da:

12.72

IP(EA), eV:

 -8.93(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(butan-2-ylamino)-N-[(4S)-1-(carbamoylamino)-6-methyl-5-oxoheptan-4-yl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CN=[N+]=[N-])NC(=O)C

DOS

IR

Vibrations