Geometry & MOs

Info

ID:	231014
PubChem CID:	87572453
Reduced:	O6N9C55H69 (1)
Stoich.:	A6B9C55D69 (1)
Weight, g/mol:	358.054755
ΔH_f, kcal/mol:	-195.71
Dipole, Da:	9.07
IP(EA), eV:	-7.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)[C@H]4CC[C@@H](N4C5=CC=C(C=C5)C6CCCCC6)C7=CC=C(C=C7)C8=CN=C(N8)[C@@H]9CCCN9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations