Geometry & MOs

Info

ID:	174989
PubChem CID:	75842348
Reduced:	ClO3N6C18H22 (1)
Stoich.:	AB3C6D18E22 (1)
Weight, g/mol:	374.131171
ΔH_f, kcal/mol:	-75.01
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.856906
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C=C(C=C1)Cl)NCC[N+]2=CN=C3C2C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations