Geometry & MOs

Info

ID:	424938
PubChem CID:	135124508
Reduced:	S2O5N6C28H34 (1)
Stoich.:	A2B5C6D28E34 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	7.88
IP(EA), eV:	-9.42(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyclobutylamino)-2,2-dimethylpropyl]carbamic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)C=CC=N2)CC3=C(SC(=N3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)O)C

DOS

IR

Vibrations