Geometry & MOs

Info

ID:	324868
PubChem CID:	126678508
Reduced:	O4C27H40 (1)
Stoich.:	A4B27C40 (1)
Weight, g/mol:	384.06847
ΔH_f, kcal/mol:	-145.02
Dipole, Da:	3.08
IP(EA), eV:	-9.48(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(=O)OCC(C)C

DOS

IR

Vibrations