Geometry & MOs

Info

ID:	187454
PubChem CID:	77573433
Reduced:	FNSO7C22H22 (1)
Stoich.:	ABCD7E22F22 (1)
Weight, g/mol:	606.148189
ΔH_f, kcal/mol:	-270.66
Dipole, Da:	4.02
IP(EA), eV:	-9.19(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[(2,4-dichlorophenyl)sulfonylamino]butyl-(propan-2-ylcarbamoyl)amino]-3-methoxypropan-2-yl]-(4-fluorophenyl)carbamic acid

Drug info:

PubChemData

Smile

CC(=O)C1(CSC(C(C1(C(=O)C)O)(C(=O)C)O)OC2=CC=CC(=C2)C3=CC(=CN=C3)F)O

DOS

IR

Vibrations