Geometry & MOs

Info

ID:	349546
PubChem CID:	127275433
Reduced:	OSN6C15H22 (1)
Stoich.:	ABC6D15E22 (1)
Weight, g/mol:	324.082702
ΔH_f, kcal/mol:	32.53
Dipole, Da:	4.92
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3,4-thiadiazol-2-yl)-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCCN(CC2)CC3=CSC=N3)C

DOS

IR

Vibrations