Geometry & MOs

Info

ID:	223676
PubChem CID:	85335406
Reduced:	ClSO3N6H21C22 (1)
Stoich.:	ABC3D6E21F22 (1)
Weight, g/mol:	485.137397
ΔH_f, kcal/mol:	-23.63
Dipole, Da:	5.44
IP(EA), eV:	-9.43(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-fluoro-6-[3-fluoro-4-[1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=NC(=O)NC3C(=C2)SC4=NC5=C(N4)C=C(C=C5)Cl

DOS

IR

Vibrations