Geometry & MOs

Info

ID:	368919
PubChem CID:	127330927
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	3.46
IP(EA), eV:	-8.63(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)NC2CCSC3=CC=CC=C23)N4CCOCC4

DOS

IR

Vibrations