Geometry & MOs

Info

ID:	25541
PubChem CID:	626306
Reduced:	SN2O2H10C16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	312.133474
ΔH_f, kcal/mol:	21.83
Dipole, Da:	2.08
IP(EA), eV:	-9.01(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methylideneamino]-5-nitroso-6,7-dihydro-2,1,3-benzoxadiazol-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC(=CC=C4)O)S3

DOS

IR

Vibrations