Geometry & MOs

Info

ID:	44171
PubChem CID:	10501284
Reduced:	O4N6C19H26 (1)
Stoich.:	A4B6C19D26 (1)
Weight, g/mol:	401.129613
ΔH_f, kcal/mol:	-120.34
Dipole, Da:	4.29
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4C[C@H]5CC[C@@H]4C5)O)O

DOS

IR

Vibrations