Geometry & MOs

Info

ID:	208011
PubChem CID:	80481308
Reduced:	BrOSN2C9H13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	3.49
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NCC1=C(C=CS1)Br)N

DOS

IR

Vibrations