Geometry & MOs

Info

ID:	228406
PubChem CID:	87564253
Reduced:	O2N8C33H38 (1)
Stoich.:	A2B8C33D38 (1)
Weight, g/mol:	247.116821
ΔH_f, kcal/mol:	32.36
Dipole, Da:	6.76
IP(EA), eV:	-9.1(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3Z)-3-amino-3-(3-hydroxy-2,2-dimethylpropanoyl)oxyiminopropyl]carbamic acid

Drug info:

PubChemData

Smile

CCC([C@H]1C(=O)N(CC[C@H](N1)CNC(=O)C2=NC3=CC=CC=C3N=C2)CC(C4=CC=CC=C4)C5=CC=CC=C5)N=C(N)N

DOS

IR

Vibrations