Geometry & MOs

Info

ID:	156197
PubChem CID:	56369480
Reduced:	BrON5C16H16 (1)
Stoich.:	ABC5D16E16 (1)
Weight, g/mol:	375.99934
ΔH_f, kcal/mol:	49.68
Dipole, Da:	6.67
IP(EA), eV:	-9.34(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CN=C(C=C2)N3C=CN=C3)Br

DOS

IR

Vibrations