Geometry & MOs

Info

ID:	302333
PubChem CID:	124361269
Reduced:	SN2O8H16C17 (1)
Stoich.:	AB2C8D16E17 (1)
Weight, g/mol:	453.178752
ΔH_f, kcal/mol:	-287.4
Dipole, Da:	6.96
IP(EA), eV:	-9.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-4-methyl-2-[[2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]pentanoate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@H](O2)COC(=O)C4=CC=CC=C4)O[S@@](=O)O3

DOS

IR

Vibrations