Geometry & MOs

Info

ID:	361822
PubChem CID:	127304728
Reduced:	S2N3O4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-149.86
Dipole, Da:	5.12
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-methyl-1-oxobutan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3CCCS(=O)(=O)CC3)C

DOS

IR

Vibrations