Geometry & MOs

Info

ID:	446943
PubChem CID:	135279020
Reduced:	NS2O6C19H31 (1)
Stoich.:	AB2C6D19E31 (1)
Weight, g/mol:	399.194677
ΔH_f, kcal/mol:	-233.04
Dipole, Da:	1.89
IP(EA), eV:	-8.01(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-9-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(NC1=CC=C(C=C1)OCCOCCOCCOCCOCC(=O)SC)S

DOS

IR

Vibrations