Geometry & MOs

Info

ID:	148869
PubChem CID:	53788539
Reduced:	BrN2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	273.08235
ΔH_f, kcal/mol:	-167.61
Dipole, Da:	4.94
IP(EA), eV:	-8.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2-hydroxyphenyl) N-(2,6-dimethylphenyl)carbamothioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(CCBr)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations