Geometry & MOs

Info

ID:	141095
PubChem CID:	52817222
Reduced:	ClOS2N5H12C17 (1)
Stoich.:	ABC2D5E12F17 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	111.33
Dipole, Da:	4.18
IP(EA), eV:	-8.92(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-methyl-2-[(4-pentoxybenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN2C=CC(=N2)NC(=O)C3=CSC(=N3)C4=CC=C(S4)Cl

DOS

IR

Vibrations