Geometry & MOs

Info

ID:	177406
PubChem CID:	76181826
Reduced:	S4O10N11C52H55 (1)
Stoich.:	A4B10C11D52E55 (1)
Weight, g/mol:	651.285768
ΔH_f, kcal/mol:	-234.53
Dipole, Da:	2.02
IP(EA), eV:	-8.69(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O.CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SSC(=C(C)N(CC3=CN=C(N=C3N)C)C=O)CCOC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations