Geometry & MOs

Info

ID:	219362
PubChem CID:	85147167
Reduced:	SN4O5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	416.228437
ΔH_f, kcal/mol:	-159.79
Dipole, Da:	3.25
IP(EA), eV:	-9.13(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-butoxyanilino)-4-propoxy-N-(tetrazolidin-5-yl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)CSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCO

DOS

IR

Vibrations