Geometry & MOs

Info

ID:	387497
PubChem CID:	134985591
Reduced:	NO4C27H27 (1)
Stoich.:	AB4C27D27 (1)
Weight, g/mol:	502.07395
ΔH_f, kcal/mol:	-112.3
Dipole, Da:	0.81
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2S,3R)-3-(4-bromophenoxy)-3-methyl-2-(phenylmethoxycarbonylamino)pent-4-ynoyl]amino]acetate

Drug info:

PubChemData

Smile

COC(=O)C(CCCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations