Geometry & MOs

Info

ID:	302391
PubChem CID:	124361563
Reduced:	N2O7C23H28 (1)
Stoich.:	A2B7C23D28 (1)
Weight, g/mol:	432.189651
ΔH_f, kcal/mol:	-286.56
Dipole, Da:	10.15
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)CNC(=O)COC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2

DOS

IR

Vibrations