Geometry & MOs

Info

ID:	302261
PubChem CID:	124360924
Reduced:	N4O5C19H26 (1)
Stoich.:	A4B5C19D26 (1)
Weight, g/mol:	431.194402
ΔH_f, kcal/mol:	-215.82
Dipole, Da:	5.68
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-[[2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)N1CC(=O)NC2=CC=CC=C21

DOS

IR

Vibrations