Geometry & MOs

Info

ID:	180228
PubChem CID:	76602013
Reduced:	SN5O5C41H57 (1)
Stoich.:	AB5C5D41E57 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-247.2
Dipole, Da:	6.23
IP(EA), eV:	-8.89(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-2-methylprop-2-enyl) 2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)CCN1C(SC(C1=O)CC(=O)N2CCC(CC2)N3CCC4=CC=CC=C4NC3=O)C5=CC=CC=C5C6CCN(CC6)C(=O)OC(C)(C)C

DOS

IR

Vibrations