Geometry & MOs

Info

ID:	320609
PubChem CID:	126662034
Reduced:	OSN5C23H31 (1)
Stoich.:	ABC5D23E31 (1)
Weight, g/mol:	467.235497
ΔH_f, kcal/mol:	31.77
Dipole, Da:	5.2
IP(EA), eV:	-8.26(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-carbamoyl-4-(propan-2-ylamino)piperidin-1-yl]phenyl]-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1(CCCN(C1)C2=CC=CC=C2NC(=O)C3=CSC(=N3)C4=CNNC4)CC

DOS

IR

Vibrations