Geometry & MOs

Info

ID:	368338
PubChem CID:	127327931
Reduced:	OS2N6C13H18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	398.101723
ΔH_f, kcal/mol:	41.6
Dipole, Da:	8.73
IP(EA), eV:	-8.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)NC(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations