Geometry & MOs

Info

ID:	140863
PubChem CID:	52772752
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-156.66
Dipole, Da:	6.17
IP(EA), eV:	-8.23(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations