Geometry & MOs

Info

ID:	391971
PubChem CID:	135011503
Reduced:	NSO20C32H49 (1)
Stoich.:	ABC20D32E49 (1)
Weight, g/mol:	556.226312
ΔH_f, kcal/mol:	-871.74
Dipole, Da:	4.08
IP(EA), eV:	-8.8(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,15Z)-10-methoxy-5,10,15-triphenyl-22,23-dihydrocorrin

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1O)O[C@H]2C(C([C@H]([C@@H](O2)CO)O)O)O)CO[C@H]3C(C([C@H](C(O3)CO)O)O)O[C@H]4C(C([C@H](C(O4)CO)O)O)O)SC5=CC=CC=C5

DOS

IR

Vibrations