Geometry & MOs

Info

ID:	243459
PubChem CID:	99224109
Reduced:	ClSN5O5C21H28 (1)
Stoich.:	ABC5D5E21F28 (1)
Weight, g/mol:	361.175004
ΔH_f, kcal/mol:	-142.35
Dipole, Da:	9.32
IP(EA), eV:	-9.38(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl

DOS

IR

Vibrations