Geometry & MOs

Info

ID:	391102
PubChem CID:	135002818
Reduced:	BCrNF2O3C21H30 (1)
Stoich.:	ABCD2E3F21G30 (1)
Weight, g/mol:	273.17625
ΔH_f, kcal/mol:	-190.55
Dipole, Da:	4.22
IP(EA), eV:	-6.88(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-2-methyl-N-[(3R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-1-yn-3-yl]propane-2-sulfinamide

Drug info:

PubChemData

Smile

[B-]1([N+](C[C@@]2(CCC(=O)[C@H]([C@@H]2COCC3=CC=CC=C3)C)C(=[Cr])O1)(CC)CC)(F)F

DOS

IR

Vibrations