Geometry & MOs

Info

ID:	46654
PubChem CID:	10525985
Reduced:	SiO3C25H40 (1)
Stoich.:	AB3C25D40 (1)
Weight, g/mol:	416.03717
ΔH_f, kcal/mol:	-70.48
Dipole, Da:	6.84
IP(EA), eV:	-8.15(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-[(5-bromo-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C2=C(C2)O[Si](C)(C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations