Geometry & MOs

Info

ID:	365130
PubChem CID:	127316887
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	4.12
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-[1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-oxopentan-2-yl]urea

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CCN3C=NC4=C(C3=O)C(=C(S4)C)C

DOS

IR

Vibrations