Geometry & MOs

Info

ID:	438634
PubChem CID:	135228378
Reduced:	NOI2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	401.24269
ΔH_f, kcal/mol:	37.95
Dipole, Da:	3.06
IP(EA), eV:	-8.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC1=CC(=C(C(=C1)I)OC2=CC=CC=C2)I)N

DOS

IR

Vibrations