Geometry & MOs

Info

ID:	443580
PubChem CID:	135259392
Reduced:	SN4O7C31H36 (1)
Stoich.:	AB4C7D31E36 (1)
Weight, g/mol:	311.122501
ΔH_f, kcal/mol:	-244.88
Dipole, Da:	4.65
IP(EA), eV:	-8.9(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylbutylamino)-1-oxo-4-propan-2-ylsulfanylbutane-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)OC4C[C@H]5CC(C[C@H]5C4)N)C(C)(C)C(=O)O)C6=NC=CO6

DOS

IR

Vibrations