Geometry & MOs

Info

ID:	65323
PubChem CID:	29214642
Reduced:	BrOSN9C20H26 (1)
Stoich.:	ABCD9E20F26 (1)
Weight, g/mol:	376.173311
ΔH_f, kcal/mol:	95.66
Dipole, Da:	4.09
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCCC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations