Geometry & MOs

Info

ID:	312032
PubChem CID:	126602005
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	393.147727
ΔH_f, kcal/mol:	-138.53
Dipole, Da:	3.45
IP(EA), eV:	-8.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-hydroxycarbazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN(C(=O)CN(C1=CC=CC=C1SC2=C(C=C(C=C2)C)C)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations