Geometry & MOs

Info

ID:	360202
PubChem CID:	127300845
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	363.136511
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	5.89
IP(EA), eV:	-8.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=C(C=C4CCCCC4=C3)O

DOS

IR

Vibrations