Geometry & MOs

Info

ID:	417322
PubChem CID:	135092061
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-160.66
Dipole, Da:	4.55
IP(EA), eV:	-9.34(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCCC2=CC=CC=C2

DOS

IR

Vibrations