Geometry & MOs

Info

ID:	245103
PubChem CID:	99437480
Reduced:	SO2N6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	8.48
Dipole, Da:	5.67
IP(EA), eV:	-8.7(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)C4=NC=CC=N4)C(=O)N

DOS

IR

Vibrations