Geometry & MOs

Info

ID:	56618
PubChem CID:	17487200
Reduced:	O2S2N6H20C21 (1)
Stoich.:	A2B2C6D20E21 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	72.97
Dipole, Da:	4.47
IP(EA), eV:	-8.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(azepan-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

DOS

IR

Vibrations