Geometry & MOs

Info

ID:	44031
PubChem CID:	10500531
Reduced:	NO7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	389.104542
ΔH_f, kcal/mol:	-256.88
Dipole, Da:	3.8
IP(EA), eV:	-8.96(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-tert-butyl-4,6-dinitrobenzamide

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O[C@@H]([C@H]2O1)C3=CC(=O)N(C3=O)CC4=CC=C(C=C4)OC)CO)C

DOS

IR

Vibrations