Geometry & MOs

Info

ID:	42941
PubChem CID:	10317289
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	374.188195
ΔH_f, kcal/mol:	-58.16
Dipole, Da:	8.57
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butylphenyl) 3-methoxy-2-(2-methylphenyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)C3=CN=C(S3)NCCOC

DOS

IR

Vibrations