Geometry & MOs

Info

ID:	40330
PubChem CID:	8143944
Reduced:	SN5C21H26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	372.01095
ΔH_f, kcal/mol:	115.93
Dipole, Da:	4.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755396
Charge, e:	0

Chem-info

IUPAC name:

2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-furan-2-ylmethylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations