Geometry & MOs

Info

ID:	432666
PubChem CID:	135172802
Reduced:	ClN5O8C41H68 (1)
Stoich.:	AB5C8D41E68 (1)
Weight, g/mol:	172.047048
ΔH_f, kcal/mol:	-399.35
Dipole, Da:	4.85
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propan-2-ylpyrimidin-5-yl) thiohypofluorite

Drug info:

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1[C@@H](C[C@H]2C1(C2)C)[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3Cl)C(O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations