Geometry & MOs

Info

ID:	142855
PubChem CID:	53103664
Reduced:	SO2N3C28H33 (1)
Stoich.:	AB2C3D28E33 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-40.36
Dipole, Da:	4.98
IP(EA), eV:	-9.19(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-methylbutyl)-1-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CCC(CC3)C(C)C(=O)NCCCC4=CC=CC=C4

DOS

IR

Vibrations