Geometry & MOs

Info

ID:	242940
PubChem CID:	99214397
Reduced:	ClSN3O3C23H26 (1)
Stoich.:	ABC3D3E23F26 (1)
Weight, g/mol:	495.182792
ΔH_f, kcal/mol:	-96.63
Dipole, Da:	3.99
IP(EA), eV:	-9.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(Z)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCC(CC2)NC(=O)C3=CSC=C3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations