Geometry & MOs

Info

ID:	282990
PubChem CID:	103951401
Reduced:	O2S2N3C9H15 (1)
Stoich.:	A2B2C3D9E15 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	4.06
IP(EA), eV:	-9.1(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-hydroxy-3-methylbenzoyl)-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)NC2CCCNC2

DOS

IR

Vibrations