Geometry & MOs

Info

ID:	349252
PubChem CID:	127274978
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	349.120861
ΔH_f, kcal/mol:	-38.94
Dipole, Da:	7.19
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C)CCC(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations