Geometry & MOs

Info

ID:	171448
PubChem CID:	75378701
Reduced:	BrN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	326.060425
ΔH_f, kcal/mol:	-100.25
Dipole, Da:	3.16
IP(EA), eV:	-9.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[(5-chlorothiadiazol-4-yl)methylamino]-2-methylphenyl]carbamate

Drug info:

PubChemData

Smile

CC(CCCO)NC(=O)NC(C)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations