Geometry & MOs

Info

ID:	149276
PubChem CID:	53788948
Reduced:	O3N6C21H28 (1)
Stoich.:	A3B6C21D28 (1)
Weight, g/mol:	639.276693
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	3.75
IP(EA), eV:	-8.51(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[3-[(1S)-1-[2,4-dioxo-6,6-bis(2-phenylethyl)oxan-3-yl]-2,2-dimethylpropyl]phenyl]pyridine-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations