Geometry & MOs

Info

ID:	148868
PubChem CID:	53788538
Reduced:	NOSC28H29 (1)
Stoich.:	ABCD28E29 (1)
Weight, g/mol:	424.09977
ΔH_f, kcal/mol:	28.36
Dipole, Da:	1.99
IP(EA), eV:	-8.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-bromoethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations