Geometry & MOs

Info

ID:	133392
PubChem CID:	51519684
Reduced:	N4O4C18H23 (1)
Stoich.:	A4B4C18D23 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-150.65
Dipole, Da:	3.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761819
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations