Geometry & MOs

Info

ID:	443186
PubChem CID:	135258032
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-148.9
Dipole, Da:	4.2
IP(EA), eV:	-8.84(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[methyl-[[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]carbamoyl]acetamide

Drug info:

PubChemData

Smile

C1[C@@H](C[C@H]([C@@H]1CO)O)N2C=C(C(=O)NC2=O)C3=CSC=C3

DOS

IR

Vibrations