Geometry & MOs

Info

ID:	36262
PubChem CID:	7982851
Reduced:	SN2O4C22H32 (1)
Stoich.:	AB2C4D22E32 (1)
Weight, g/mol:	373.152537
ΔH_f, kcal/mol:	-190.61
Dipole, Da:	3.1
IP(EA), eV:	-8.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations