Geometry & MOs

Info

ID:	84713
PubChem CID:	49869402
Reduced:	BrNSF2O2C35H46 (1)
Stoich.:	ABCD2E2F35G46 (1)
Weight, g/mol:	533.030447
ΔH_f, kcal/mol:	-96.63
Dipole, Da:	33.89
IP(EA), eV:	-5.36(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-2-[[2-(2-chlorophenyl)acetyl]amino]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamic acid

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C(=CC2=C1CC[N+](=C2CCCCCC)CC3=C(C=CC(=C3)F)F)C4=CSC=C4)OC.[Br-]

DOS

IR

Vibrations