Geometry & MOs

Info

ID:	210992
PubChem CID:	80881606
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	327.093601
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	2.27
IP(EA), eV:	-8.91(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1OC2=CC(=CC(=C2C)C)C)N

DOS

IR

Vibrations