Geometry & MOs

Info

ID:	153643
PubChem CID:	56312923
Reduced:	BrO2S2N4H15C21 (1)
Stoich.:	AB2C2D4E15F21 (1)
Weight, g/mol:	498.0175
ΔH_f, kcal/mol:	43.52
Dipole, Da:	4.99
IP(EA), eV:	-9.22(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]carbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations