Geometry & MOs

Info

ID:	43194
PubChem CID:	10319340
Reduced:	SN3O5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	409.047691
ΔH_f, kcal/mol:	-210.28
Dipole, Da:	5.45
IP(EA), eV:	-8.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-4-fluorobenzoyl)carbamoylamino]-4-(methoxycarbonylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)COC2CCN(CC2)S(=O)(=O)CC3(C(=O)NC(=O)N3)C

DOS

IR

Vibrations