Geometry & MOs

Info

ID:	417802
PubChem CID:	135102781
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	334.076947
ΔH_f, kcal/mol:	8.36
Dipole, Da:	8.13
IP(EA), eV:	-8.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4S)-1-(2-amino-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)C(=O)N(CCN(CC3=CC=C(C=C3)OCC4=CN(CCCO2)N=N4)C)C

DOS

IR

Vibrations