Geometry & MOs

Info

ID:	438608
PubChem CID:	135228352
Reduced:	O3N5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	415.25834
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	4.03
IP(EA), eV:	-7.97(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@H](CCCNC(=O)N)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC

DOS

IR

Vibrations